4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C14H27F3N2 — CID 62615226

IUPAC4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-13(2,3)11-5-6-12(18)10(7-11)8-19(4)9-14(15,16)17/h10-12H,5-9,18H2,1-4H3
InChIKeyASAWBMHXTIUSTF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.27
Rot. Bonds3

About 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62615226) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62615226
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-13(2,3)11-5-6-12(18)10(7-11)8-19(4)9-14(15,16)17/h10-12H,5-9,18H2,1-4H3
InChIKeyASAWBMHXTIUSTF-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 62615226) is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is ASAWBMHXTIUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-13(2,3)11-5-6-12(18)10(7-11)8-19(4)9-14(15,16)17/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).